4-Bromo-2-fluoro-6-nitroaniline

Base Information

• Chemical Name: 4-Bromo-2-fluoro-6-nitroaniline
• CAS No.: 517920-70-6
• Molecular Formula: C6H4 Br F N2 O2
• Molecular Weight: 235.012
• Hs Code.: 2921420090
• European Community (EC) Number: 840-155-9
• DSSTox Substance ID: DTXSID30378421
• Wikidata: Q72456251
• Mol file: 517920-70-6.mol

Synonyms:4-bromo-2-fluoro-6-nitroaniline;517920-70-6;2-Fluoro-4-Bromo-6-Nitroaniline;4-bromo-2-fluoro-6-nitro-phenylamine;MFCD03094271;2-Amino-5-bromo-3-fluoronitrobenzene;SCHEMBL240605;4-bromo-2fluoro-6-nitroaniline;DTXSID30378421;UXLRNUCHBXKRBL-UHFFFAOYSA-N;AMY28115;AKOS005257200;CS-W005040;SB37459;DS-12661;SY030400;A7626;FT-0612039;EN300-198760;F13686;4-bromo-2-fluoro-6-nitrobenzenamine;4-Bromo-2-fluoro-6-nitroaniline

Chemical Property of 4-Bromo-2-fluoro-6-nitroaniline

Chemical Property:

• Vapor Pressure: 0.00187mmHg at 25°C
• Boiling Point: 292.1°C at 760 mmHg
• PKA: -2.54±0.25(Predicted)
• Flash Point: 130.5°C
• PSA: 71.84000
• Density: 1.896g/cm³
• LogP: 3.18300
• Storage Temp.: Room temperature.
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 233.94402
• Heavy Atom Count: 12
• Complexity: 187

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Bromo-2-fluoro-6-nitroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])N)F)Br

Technology Process of 4-Bromo-2-fluoro-6-nitroaniline

There total 1 articles about 4-Bromo-2-fluoro-6-nitroaniline which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 85.0%

5-bromo-1,2-difluoro-3-nitrobenzene (1261988-16-2) → 4-Bromo-2-fluoro-6-nitrobenzenamine (517920-70-6)

Guidance literature:

With ammonium carbonate; triethylamine;

Reference yield: 100.0%

formic acid (64-18-6) + 4-Bromo-2-fluoro-6-nitrobenzenamine (517920-70-6) → N-(4-bromo-2-fluoro-6-nitrophenyl)formamide

Guidance literature:

formic acid; With acetic anhydride; at 60 ℃; for 3h;

4-Bromo-2-fluoro-6-nitrobenzenamine; at 20 - 60 ℃; for 15h;

Reference yield: 99.0%

4-Bromo-2-fluoro-6-nitrobenzenamine (517920-70-6) → 5-bromo-3-fluoro-1,2-phenylenediamine (517920-69-3)

Guidance literature:

With iron; ammonium chloride; In tetrahydrofuran; water; at 95 ℃; for 22h;

upstream raw materials:

5-bromo-1,2-difluoro-3-nitrobenzene

Downstream raw materials:

5-bromo-3-fluoro-1,2-phenylenediamine

3-[7-fluoro-5-(2-trifluoromethylphenyl)-1H-benzimidazol-2-yl]-1-oxa-2-azaspiro[4.5]dec-2-ene

3-[7-fluoro-5-(2-trifluoromethylphenyl)-1H-benzimidazol-2-yl]-1-oxa-2-azaspiro[4.5]dec-2-ene hydrochloride

C₂₂H₂₁F₄N₃O₂

Refernces